pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2[nH]c[nH+]c2c1O	O=[N+]([O-])c1ccc2[nH]cnc2c1O,O=[N+]([O-])c1ccc2[nH]c[nH+]c2c1[O-]	mol26467	O=[N+]([O-])c1ccc2[nH]cnc2c1O